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TitleStructure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 2891-2895, Year 2009
Publish dateFeb 12, 2009 (structure data deposition date)
AuthorsCao, J. / Gao, H. / Bemis, G. / Salituro, F. / Ledeboer, M. / Harrington, E. / Wilke, S. / Taslimi, P. / Pazhanisamy, S. / Xie, X. ...Cao, J. / Gao, H. / Bemis, G. / Salituro, F. / Ledeboer, M. / Harrington, E. / Wilke, S. / Taslimi, P. / Pazhanisamy, S. / Xie, X. / Jacobs, M. / Green, J.
External linksBioorg. Med. Chem. Lett. / PubMed:19361991
MethodsX-ray diffraction
Resolution2.2 - 2.8 Å
Structure data

PDB-3g90:
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3g9l:
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3g9n:
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-J72:
(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime

ChemComp-HOH:
WATER

ChemComp-J67:
(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime

ChemComp-J88:
(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / inhibitor / phosphorylation / ATP-binding / Epilepsy / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase

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